3-ethyl-6-methyl-4-(3-nitrophenyl)-1-thiophen-2-ylcarbonyl-4H-pyridazine-5-carboxylic acid

Systemtic Name: 3-ethyl-6-methyl-4-(3-nitrophenyl)-1-thiophen-2-ylcarbonyl-4H-pyridazine-5-carboxylic acid Openeye Name: 3-ethyl-6-methyl-4-(3-nitrophenyl)-1-(thiophene-2-carbonyl)-4H-pyridazine-5-carboxylic acid CAS Name: 3-ethyl-6-methyl-4-(3-nitrophenyl)-1-[oxo(thiophen-2-yl)methyl]-4H-pyridazine-5-carboxylic acid IUPAC Name: 3-ethyl-6-methyl-4-(3-nitrophenyl)-1-(thiophene-2-carbonyl)-4H-pyridazine-5-carboxylic acid Traditional Name: 3-ethyl-6-methyl-4-(3-nitrophenyl)-1-(2-thenoyl)-4H-pyridazine-5-carboxylic acid Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C)C(=O)C3=CC=CS3

Isomeric SMILES

CCC1=NN(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C)C(=O)C3=CC=CS3

InChI

InChI=1S/C19H17N3O5S/c1-3-14-17(12-6-4-7-13(10-12)22(26)27)16(19(24)25)11(2)21(20-14)18(23)15-8-5-9-28-15/h4-10,17H,3H2,1-2H3,(H,24,25)